6- Bromo- 1, 1- dimethyl-1H- 2- benzopyran- 4(3H) - one - CAS 1379340-89-2
Catalog: |
BB074014 |
Product Name: |
6- Bromo- 1, 1- dimethyl-1H- 2- benzopyran- 4(3H) - one |
CAS: |
1379340-89-2 |
Synonyms: |
6-Bromo-1,1-dimethylisochroman-4-one; 6-bromo-1,1-dimethylisochromen-4-one |
IUPAC Name: | 6-bromo-1,1-dimethylisochromen-4-one |
Molecular Weight: | 255.11 |
Molecular Formula: | C11H11BrO2 |
Canonical SMILES: | CC1(C2=C(C=C(C=C2)Br)C(=O)CO1)C |
InChI: | InChI=1S/C11H11BrO2/c1-11(2)9-4-3-7(12)5-8(9)10(13)6-14-11/h3-5H,6H2,1-2H3 |
InChI Key: | IDKZYTHWEDPTBR-UHFFFAOYSA-N |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.99424 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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